1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone

C14H10Cl2FNO — CID 64914010

IUPAC1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-8-4-5-9(13(18)6-8)14(19)7-10-11(16)2-1-3-12(10)17/h1-6H,7,18H2
InChIKeyGUYXQBNNFOGYLP-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 64914010) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID64914010
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-8-4-5-9(13(18)6-8)14(19)7-10-11(16)2-1-3-12(10)17/h1-6H,7,18H2
InChIKeyGUYXQBNNFOGYLP-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 64914010) is 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone is Nc1cc(Cl)ccc1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is GUYXQBNNFOGYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-8-4-5-9(13(18)6-8)14(19)7-10-11(16)2-1-3-12(10)17/h1-6H,7,18H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 298.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 64914010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).